ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl (8E,11E,14E,17E)-8,11,14,17-icosatetraenoate | C45H82NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl (8E,11E,14E,17E)-8,11,14,17-icosatetraenoate

  • Molecular FormulaC45H82NO8P
  • Average mass796.108 Da
  • Monoisotopic mass795.577820 Da
  • ChemSpider ID59698995

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl (8E,11E,14E,17E)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl-(8E,11E,14E,17E)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(8E,11E,14E,17E)-8,11,14,17-Icosatétraénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxoeicosyl)oxy]propyl ester, (8E,11E,14E,17E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-(icosa-8,11,14,17-tetraenoyloxy)-2-(icosanoyloxy)propoxy]phosphinic acid
PE(20:4(8Z,11Z,14Z,17Z)/20:0)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 793.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.5±6.0 kJ/mol
Flash Point: 433.7±35.7 °C
Index of Refraction: 1.492
Molar Refractivity: 229.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 15.56
ACD/LogD (pH 5.5): 10.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 686508.75
ACD/LogD (pH 7.4): 10.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 553075.00
Polar Surface Area: 144 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 791.2±3.0 cm3

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